5-methyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole

C10H7F3N2OS — CID 20595472

IUPAC5-methyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole
SMILESCc1nc(-c2ccc(OC(F)(F)F)cc2)ns1
InChIInChI=1S/C10H7F3N2OS/c1-6-14-9(15-17-6)7-2-4-8(5-3-7)16-10(11,12)13/h2-5H,1H3
InChIKeyYVYOSFTTXNGLEG-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.41
Rot. Bonds2

About 5-methyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole

5-methyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole (PubChem CID 20595472) has the molecular formula C10H7F3N2OS and a molecular weight of 260.24 g/mol. Its IUPAC name is 5-methyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-methyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole
PubChem CID20595472
Molecular FormulaC10H7F3N2OS
Molecular Weight260.24 g/mol
Exact Mass260.02
IUPAC Name5-methyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole
SMILESCc1nc(-c2ccc(OC(F)(F)F)cc2)ns1
InChIInChI=1S/C10H7F3N2OS/c1-6-14-9(15-17-6)7-2-4-8(5-3-7)16-10(11,12)13/h2-5H,1H3
InChIKeyYVYOSFTTXNGLEG-UHFFFAOYSA-N
XLogP3.41
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole?
The IUPAC name of 5-methyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole (CID 20595472) is 5-methyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-methyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-methyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole is Cc1nc(-c2ccc(OC(F)(F)F)cc2)ns1.
What is the InChIKey of 5-methyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole?
The InChIKey is YVYOSFTTXNGLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2OS/c1-6-14-9(15-17-6)7-2-4-8(5-3-7)16-10(11,12)13/h2-5H,1H3.
What are the key properties of 5-methyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole?
5-methyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole has a molecular weight of 260.24 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole is sourced from PubChem (CID 20595472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).